9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one

C23H27N3O3 — CID 45380802

IUPAC9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one
SMILESCOc1cc2c(cc1C(C)=O)c1c3c(ccc1n2CCCN(C)C)C(=O)N(C)C3
InChIInChI=1S/C23H27N3O3/c1-14(27)16-11-17-20(12-21(16)29-5)26(10-6-9-24(2)3)19-8-7-15-18(22(17)19)13-25(4)23(15)28/h7-8,11-12H,6,9-10,13H2,1-5H3
InChIKeyIKOYUIUDIQRQCH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.54
Rot. Bonds6

About 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one

9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one (PubChem CID 45380802) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one.

Molecular Properties

Compound Name9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one
PubChem CID45380802
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one
SMILESCOc1cc2c(cc1C(C)=O)c1c3c(ccc1n2CCCN(C)C)C(=O)N(C)C3
InChIInChI=1S/C23H27N3O3/c1-14(27)16-11-17-20(12-21(16)29-5)26(10-6-9-24(2)3)19-8-7-15-18(22(17)19)13-25(4)23(15)28/h7-8,11-12H,6,9-10,13H2,1-5H3
InChIKeyIKOYUIUDIQRQCH-UHFFFAOYSA-N
XLogP3.54
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone
CID 91257828
1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
CID 58276172
9-acetyl-6-[3-(dimethylamino)propyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 45380800
1-[6-[3-(dimethylamino)propyl]-4,8-dihydroxy-2-methyl-3-methylidene-1H-pyrrolo[3,4-c]carbazol-9-yl]ethanone
CID 129231102
9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 118001483
13-acetyl-10-[3-(dimethylamino)propyl]-12-thia-10-azatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2(6),7,11(15),13-pentaen-5-one
CID 118001471
23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione
CID 139979023
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673291
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one?
The IUPAC name of 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one (CID 45380802) is 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one.
What is the SMILES notation for 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one?
The canonical SMILES for 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one is COc1cc2c(cc1C(C)=O)c1c3c(ccc1n2CCCN(C)C)C(=O)N(C)C3.
What is the InChIKey of 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one?
The InChIKey is IKOYUIUDIQRQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14(27)16-11-17-20(12-21(16)29-5)26(10-6-9-24(2)3)19-8-7-15-18(22(17)19)13-25(4)23(15)28/h7-8,11-12H,6,9-10,13H2,1-5H3.
What are the key properties of 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one?
9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one has a molecular weight of 393.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one is sourced from PubChem (CID 45380802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).